2-(1H-pyrrol-2-yl)quinoline-4-carboxamide

C14H11N3O — CID 175947140

IUPAC2-(1H-pyrrol-2-yl)quinoline-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc[nH]2)nc2ccccc12
InChIInChI=1S/C14H11N3O/c15-14(18)10-8-13(12-6-3-7-16-12)17-11-5-2-1-4-9(10)11/h1-8,16H,(H2,15,18)
InChIKeySBOQECNVSWLCHH-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.33
Rot. Bonds2

About 2-(1H-pyrrol-2-yl)quinoline-4-carboxamide

2-(1H-pyrrol-2-yl)quinoline-4-carboxamide (PubChem CID 175947140) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(1H-pyrrol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(1H-pyrrol-2-yl)quinoline-4-carboxamide
PubChem CID175947140
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name2-(1H-pyrrol-2-yl)quinoline-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc[nH]2)nc2ccccc12
InChIInChI=1S/C14H11N3O/c15-14(18)10-8-13(12-6-3-7-16-12)17-11-5-2-1-4-9(10)11/h1-8,16H,(H2,15,18)
InChIKeySBOQECNVSWLCHH-UHFFFAOYSA-N
XLogP2.33
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-formylquinoline-4-carboxamide
CID 15560688
2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
CID 59930142
2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 913140
bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper
CID 59873950
2-(4-isocyanatophenyl)quinoline-4-carboxamide
CID 169352677
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
sodium (2-phenylquinoline-4-carbonyl)azanide
CID 140991412
2-(6-carbamoyl-3-pyridinyl)quinoline-4-carboxylic acid
CID 58002076
2-[3-(carbamothioylamino)phenyl]quinoline-4-carboxylic acid
CID 169357218
2-(2-aminophenyl)quinoline-4-carboxylic acid
CID 131879149
N-(2-carbamoyl-4,5-difluorophenyl)-2-phenylquinoline-4-carboxamide
CID 166336345

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(1H-pyrrol-2-yl)quinoline-4-carboxamide (CID 175947140) is 2-(1H-pyrrol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(1H-pyrrol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(1H-pyrrol-2-yl)quinoline-4-carboxamide is NC(=O)c1cc(-c2ccc[nH]2)nc2ccccc12.
What is the InChIKey of 2-(1H-pyrrol-2-yl)quinoline-4-carboxamide?
The InChIKey is SBOQECNVSWLCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c15-14(18)10-8-13(12-6-3-7-16-12)17-11-5-2-1-4-9(10)11/h1-8,16H,(H2,15,18).
What are the key properties of 2-(1H-pyrrol-2-yl)quinoline-4-carboxamide?
2-(1H-pyrrol-2-yl)quinoline-4-carboxamide has a molecular weight of 237.26 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 175947140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).